7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

C14H18N2 — CID 71460793

IUPAC7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCc1ccc(C2=CC3CNCC(C2)C3)cn1
InChIInChI=1S/C14H18N2/c1-10-2-3-13(9-16-10)14-5-11-4-12(6-14)8-15-7-11/h2-3,5,9,11-12,15H,4,6-8H2,1H3
InChIKeyBEBIEORUESJWFE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.40
Rot. Bonds1

About 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene

7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71460793) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71460793
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESCc1ccc(C2=CC3CNCC(C2)C3)cn1
InChIInChI=1S/C14H18N2/c1-10-2-3-13(9-16-10)14-5-11-4-12(6-14)8-15-7-11/h2-3,5,9,11-12,15H,4,6-8H2,1H3
InChIKeyBEBIEORUESJWFE-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (CID 71460793) is 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is Cc1ccc(C2=CC3CNCC(C2)C3)cn1.
What is the InChIKey of 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is BEBIEORUESJWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-2-3-13(9-16-10)14-5-11-4-12(6-14)8-15-7-11/h2-3,5,9,11-12,15H,4,6-8H2,1H3.
What are the key properties of 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 214.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71460793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).